N-Butylaniline - ≥97% , CAS No.1126-78-9

CAS: 1126-78-9 Cat. No.: N590954 Formula: C₁₀H₁₅N Peso molecolare: 149.23 Beilstein Registry Number: 12(3)267 Numero EC: 214-425-6

GRADE & PURITY ≥97%

Synonyms

N-Butylaniline|1126-78-9|Benzenamine, N-butyl-|Aniline, N-butyl-|N-Butylbenzenamine|4-(Phenylamino)butane|N-(N-BUTYL)ANILINE|N-Phenyl-n-butylamine|butylaniline|butylphenylamine|NSC 7114|UN2738|N-(But-1-yl)aniline|R2ZNJ7L2UM|DTXSID9044370|NSC-7114|n-Butyl

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Sinonimi

N-Butylaniline | 1126-78-9 | Benzenamine, N-butyl- | Aniline, N-butyl- | N-Butylbenzenamine | 4-(Phenylamino)butane | N-(N-BUTYL)ANILINE | N-Phenyl-n-butylamine | butylaniline | butylphenylamine | NSC 7114 | UN2738 | N-(But-1-yl)aniline | R2ZNJ7L2UM | DTXSID9044370 | NSC-7114 | n-Butyl

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

FedEx DG Service

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504752550

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752550

Sorrisi canonici

CCCCNC1=CC=CC=C1

IUPAC Name

N-butylaniline

InChIKey

VSHTWPWTCXQLQN-UHFFFAOYSA-N

INCHI

1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3

Isomeri SMILES

CCCCNC1=CC=CC=C1

WGK Germania

3

RTECS

BW9450000

Numero UN

2738

Gruppo di imballaggio

II

Peso molecolare

149.23

Beilstein

12(3)267

Reaxy-Rn

2206226

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2206226&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Aralkylamines
          • Level6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Aralkylamines
• Direct Parent: Phenylalkylamines
• Alternative Parents: Aniline and substituted anilines Secondary alkylarylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Secondary amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Sensibilità: Sensitive to air
• Indice di rifrazione: 1.5320-1.5350
• Punto di infiammabilità (°F): 222.8 °F
• Punto di infiammabilità (°C): 106 °C
• Punto di ebollizione (°C): 240°C
• Punto di fusione (°C): -14.4°C
• Peso molecolare: 149.230 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 149.12 Da
• Monoisotopic Mass: 149.12 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 84.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1126-78-9, the molecular formula is C10H15N, and the molecular weight is 149.23 g/mol. InChIKey VSHTWPWTCXQLQN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.